HADDOCK (High Ambiguity Driven protein-protein DOCKing) is an information-driven flexible docking approach for the modeling of biomolecular complexes.
HADDOCK distinguishes itself from ab-initio docking methods in the fact that it encodes information from identified or predicted protein interfaces
in ambiguous interaction restraints (AIRs) to drive the docking process. HADDOCK can deal with a large class of modeling problems including protein-protein,
protein-nucleic acids and protein-ligand complexes.

"The FP7 WeNMR (project# 261572), H2020 West-Life (project# 675858) and the EOSC-hub (project# 777536) European e-Infrastructure projects are acknowledged for the use of their web portals, which make use of the EGI infrastructure with the dedicated support of CESNET-MetaCloud, INFN-PADOVA, NCG-INGRID-PT, TW-NCHC, SURFsara and NIKHEF, and the additional support of the national GRID Initiatives of Belgium, France, Italy, Germany, the Netherlands, Poland, Portugal, Spain, UK, Taiwan and the US Open Science Grid."

Server example

An example of the server output for the e2a-hpr example provided with the HADDOCK distribution
can be found here. This is the result of the E2A-HPr demo run below
via the "easy interface" using only chemical shift perturbations.

Tutorials

A demo web form for the easy interface with pre-loaded parameters is available here.
It corresponds to the E2A-HPR docking example based on NMR chemical shift perturbations.

Various tutorials describing the use of the HADDOCK web portal with various combinations of data are available here

A demo of the easy interface based on the above tutorial is available in YouTube,
together with a recent 3 hour lecture on HADDOCK by Prof. A. Bonvin

And finally a recent SBGrid webinar by Prof. A. Bonvin describing the differences between using the webserver and a local version of HADDOCK is available on YouTube

Services

The WeNMR/Westlife web portal is an easy gateway for you to use many of the powerful software packages ported by the WeNMR/Westlife consortium to the GRID.